Related items
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Article
Computational protein design: The proteus software and selected applications
Simonson, T.; Gaillard, T.; Mignon, D.; Schmidt Am Busch, M.; Lopes, A.; Amara, Najette; Polydorides, Savvas; Sedano, A.; Druart, Karen; Archontis, Georgios Z. (2013)We describe an automated procedure for protein design, implemented in a flexible software package, called Proteus. System setup and calculation of an energy matrix are done with the XPLOR modeling program and its sophisticated ...
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Article
Proteus and the design of ligand binding sites
Polydorides, Savvas; Michael, E.; Mignon, D.; Druart, Karen; Archontis, Georgios Z.; Simonson, T. (2016)This chapter describes the organization and use of Proteus, a multitool computational suite for the optimization of protein and ligand conformations and sequences, and the calculation of pKα shifts and relative binding ...
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Article
Investigating the seismic response of ancient multi-drum colonnades with two rows of columns using an object-oriented designed software
Papaloizou, Loizos; Komodromos, Petros I. (2012)A software application, based on the Discrete Element Method (DEM), has been developed, using a modern object-oriented design and programming approach, in order to enable the effective simulation of multi-drum columns and ...